Inorganic Solid Phases

KLi6[TaO6] (KLi6TaO6) Crystal Structure

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General Information

  • Phase Label(s): KLi6TaO6
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: hR42
  • Space Group: 166
  • Phase Prototype: KLi6IrO6
  • Measurement Detail(s): Guinier-Simon film (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Cu Kα1; λ = 0.154051 nm (determination of cell parameters), X-rays, Ag Kα; λ = 0.056090 nm (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 17 variables; 224 reflections, R = 0.0180; wR = 0.0179
  • Sample Detail(s): sample prepared from K2O, Li2O, Ta2O5, powder (determination of cell parameters), single crystal (determination of structural parameters)

Substance Summary

  • Standard Formula: KLi6TaO6
  • Alphabetic Formula: KLi6O6Ta
  • Published Formula: KLi6[TaO6]
  • Refined Formula: KLi6O6Ta
  • Wyckoff Sequence: 166,hfba
  • Z Formula Units: 3
  • Density: ρ = 4.22 Mg·m−3
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Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Powder Pattern

published defraction line
sin2(θ) [10−3]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1707670

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

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